Title

Author

Date of Award

12-1984

Degree Name

Master of Arts

Department

Physics

First Advisor

Dr. David D. Carley

Second Advisor

Dr. L. Opplinger

Third Advisor

Dr. Michitoshi Soga

Access Setting

Masters Thesis-Open Access

Abstract

The use of integral equations to find radial distribution functions for computing thermodynamic properties is examined. The system considered is a simple classical fluid with interactions according to the Lennard-Jones (6-12) pair potential function. Two parametric integral equations (C and T) are studied in detail. Derivation of equation T and a power series solution are given. Computer solutions at several different temperatures, densities, and parameter values are obtained. Comparisons are made betv/een these results and results from integral equation N, PY, and HNC, and results from Monte Carlo, molecular dynamics, and power series methods. Equations C and N are found to give nearly identical results with parameters chosen in a similar way. At the reduced temperature 2.74 equation T gives good agreement with "exact" results over a wide density range. Additional studies of equation T should be done at lower temperatures where previous integral equations have not worked well.